2′,3′-Diidrossiacetofenone - ≥97% , CAS No.13494-10-5

CAS: 13494-10-5 Cat. No.: D347226 Formula: C₈H₈O₃ Peso molecolare: 152.15

QUALITÀ & PUREZZA ≥97%

Synonyms

FEMA No. 3662 | UNII-65328I5OQP | AKOS006279187 | DTXSID40866647 | 2',3'-DIHYDROXYACETOPHENONE | 2',3'-Dihydroxy-acetophenone | 2,3-dihydroxyacetophenone | Dihydroxyacetophenone, 2,3- | 1-(2,3-dihydroxyphenyl)ethan-1-one | MFCD03424392 | AM20020417 | Etha

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

il 2',3'-diidrossiacetofenone è un reagente utilizzato nella sintesi di agenti antiproliferativi, agonisti dei recettori oppioidi e anticoagulanti.

Specifiche

Sinonimi

FEMA No. 3662 | UNII-65328I5OQP | AKOS006279187 | DTXSID40866647 | 2',3'-DIHYDROXYACETOPHENONE | 2',3'-Dihydroxy-acetophenone | 2,3-dihydroxyacetophenone | Dihydroxyacetophenone, 2,3- | 1-(2,3-dihydroxyphenyl)ethan-1-one | MFCD03424392 | AM20020417 | Etha

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528754994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754994

Sorrisi canonici

CC(=O)C1=C(C(=CC=C1)O)O

IUPAC Name

1-(2,3-dihydroxyphenyl)ethanone

InChIKey

HEJLFBLJYFSKCE-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3

Isomeri SMILES

CC(=O)C1=C(C(=CC=C1)O)O

Peso molecolare

152.15

Reaxy-Rn

1909074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 96-98° C
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1